3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

C20H26N2O3 — CID 47493398

IUPAC3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCOCCOc1ccccc1NC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3/c1-15-9-11-17(12-10-15)16(2)22(3)20(23)21-18-7-5-6-8-19(18)25-14-13-24-4/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyCHBVNNOPAGQOMO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.25
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (PubChem CID 47493398) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
PubChem CID47493398
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCOCCOc1ccccc1NC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3/c1-15-9-11-17(12-10-15)16(2)22(3)20(23)21-18-7-5-6-8-19(18)25-14-13-24-4/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyCHBVNNOPAGQOMO-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 24612469
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118761101
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (CID 47493398) is 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is COCCOc1ccccc1NC(=O)N(C)C(C)c1ccc(C)cc1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is CHBVNNOPAGQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-9-11-17(12-10-15)16(2)22(3)20(23)21-18-7-5-6-8-19(18)25-14-13-24-4/h5-12,16H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 47493398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).